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PubMed code 24296012

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50444822
PNG
(CHEMBL3099234)
Show SMILES CCCN1C[C@H](Cn2cncn2)O[C@@H]2Cc3c(O)cccc3C[C@@H]12 |r|
Show InChI InChI=1S/C18H24N4O2/c1-2-6-21-9-14(10-22-12-19-11-20-22)24-18-8-15-13(7-16(18)21)4-3-5-17(15)23/h3-5,11-12,14,16,18,23H,2,6-10H2,1H3/t14-,16-,18-/m1/s1
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PubMed
n/an/an/an/a 1.70n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins


Bioorg Med Chem 22: 381-92 (2013)


Article DOI: 10.1016/j.bmc.2013.11.012
BindingDB Entry DOI: 10.7270/Q26T0P3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50273465
PNG
((+/-)-trans-1-Propyl-1,2,3,4,4a,5,10,10a-octahydro...)
Show SMILES CCCN1CCC[C@@H]2Cc3c(O)cccc3C[C@@H]12 |r|
Show InChI InChI=1S/C16H23NO/c1-2-8-17-9-4-6-13-10-14-12(11-15(13)17)5-3-7-16(14)18/h3,5,7,13,15,18H,2,4,6,8-11H2,1H3/t13-,15-/m1/s1
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n/an/an/an/a 0.170n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins


Bioorg Med Chem 22: 381-92 (2013)


Article DOI: 10.1016/j.bmc.2013.11.012
BindingDB Entry DOI: 10.7270/Q26T0P3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50444827
PNG
(CHEMBL3099229)
Show SMILES Oc1cccc2C[C@H]3[C@H](Cc12)OCCN3CC1CC1 |r|
Show InChI InChI=1S/C16H21NO2/c18-15-3-1-2-12-8-14-16(9-13(12)15)19-7-6-17(14)10-11-4-5-11/h1-3,11,14,16,18H,4-10H2/t14-,16-/m0/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins


Bioorg Med Chem 22: 381-92 (2013)


Article DOI: 10.1016/j.bmc.2013.11.012
BindingDB Entry DOI: 10.7270/Q26T0P3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50444819
PNG
(CHEMBL3099239)
Show SMILES CCCN1C[C@@H](Cn2cc(Cl)cn2)O[C@@H]2Cc3c(O)cccc3C[C@@H]12 |r|
Show InChI InChI=1S/C19H24ClN3O2/c1-2-6-22-11-15(12-23-10-14(20)9-21-23)25-19-8-16-13(7-17(19)22)4-3-5-18(16)24/h3-5,9-10,15,17,19,24H,2,6-8,11-12H2,1H3/t15-,17+,19+/m0/s1
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n/an/an/an/a 3.5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins


Bioorg Med Chem 22: 381-92 (2013)


Article DOI: 10.1016/j.bmc.2013.11.012
BindingDB Entry DOI: 10.7270/Q26T0P3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50444821
PNG
(CHEMBL3099235)
Show SMILES CCCN1C[C@@H](Cn2cncn2)O[C@@H]2Cc3c(O)cccc3C[C@@H]12 |r|
Show InChI InChI=1S/C18H24N4O2/c1-2-6-21-9-14(10-22-12-19-11-20-22)24-18-8-15-13(7-16(18)21)4-3-5-17(15)23/h3-5,11-12,14,16,18,23H,2,6-10H2,1H3/t14-,16+,18+/m0/s1
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n/an/an/an/a 0.5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins


Bioorg Med Chem 22: 381-92 (2013)


Article DOI: 10.1016/j.bmc.2013.11.012
BindingDB Entry DOI: 10.7270/Q26T0P3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50444823
PNG
(CHEMBL3099233)
Show SMILES CCCN1C[C@@H](Cn2ccc(n2)-c2ccccc2)O[C@@H]2Cc3c(O)cccc3C[C@@H]12 |r|
Show InChI InChI=1S/C25H29N3O2/c1-2-12-27-16-20(17-28-13-11-22(26-28)18-7-4-3-5-8-18)30-25-15-21-19(14-23(25)27)9-6-10-24(21)29/h3-11,13,20,23,25,29H,2,12,14-17H2,1H3/t20-,23+,25+/m0/s1
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n/an/an/an/a 33n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins


Bioorg Med Chem 22: 381-92 (2013)


Article DOI: 10.1016/j.bmc.2013.11.012
BindingDB Entry DOI: 10.7270/Q26T0P3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50123626
PNG
((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...)
Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1
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Article
PubMed
n/an/an/an/a 0.700n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins


Bioorg Med Chem 22: 381-92 (2013)


Article DOI: 10.1016/j.bmc.2013.11.012
BindingDB Entry DOI: 10.7270/Q26T0P3C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/an/an/a 36n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins


Bioorg Med Chem 22: 381-92 (2013)


Article DOI: 10.1016/j.bmc.2013.11.012
BindingDB Entry DOI: 10.7270/Q26T0P3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50444818
PNG
(CHEMBL3099222)
Show SMILES CCCN1C[C@H](CSC)O[C@@H]2Cc3c(O)cccc3C[C@@H]12 |r|
Show InChI InChI=1S/C17H25NO2S/c1-3-7-18-10-13(11-21-2)20-17-9-14-12(8-15(17)18)5-4-6-16(14)19/h4-6,13,15,17,19H,3,7-11H2,1-2H3/t13-,15-,17-/m1/s1
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n/an/an/an/a 0.600n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins


Bioorg Med Chem 22: 381-92 (2013)


Article DOI: 10.1016/j.bmc.2013.11.012
BindingDB Entry DOI: 10.7270/Q26T0P3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50444824
PNG
(CHEMBL3099232)
Show SMILES CCCN1C[C@H](Cn2ccc(n2)-c2ccccc2)O[C@@H]2Cc3c(O)cccc3C[C@@H]12 |r|
Show InChI InChI=1S/C25H29N3O2/c1-2-12-27-16-20(17-28-13-11-22(26-28)18-7-4-3-5-8-18)30-25-15-21-19(14-23(25)27)9-6-10-24(21)29/h3-11,13,20,23,25,29H,2,12,14-17H2,1H3/t20-,23-,25-/m1/s1
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n/an/an/an/a 13n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins


Bioorg Med Chem 22: 381-92 (2013)


Article DOI: 10.1016/j.bmc.2013.11.012
BindingDB Entry DOI: 10.7270/Q26T0P3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50444828
PNG
(CHEMBL3099228)
Show SMILES Oc1cccc2C[C@@H]3[C@@H](Cc12)OCCN3CC1CC1 |r|
Show InChI InChI=1S/C16H21NO2/c18-15-3-1-2-12-8-14-16(9-13(12)15)19-7-6-17(14)10-11-4-5-11/h1-3,11,14,16,18H,4-10H2/t14-,16-/m1/s1
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n/an/an/an/a 18n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins


Bioorg Med Chem 22: 381-92 (2013)


Article DOI: 10.1016/j.bmc.2013.11.012
BindingDB Entry DOI: 10.7270/Q26T0P3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50444831
PNG
(CHEMBL3099225)
Show SMILES CCN1CCO[C@@H]2Cc3c(O)cccc3C[C@@H]12 |r|
Show InChI InChI=1S/C14H19NO2/c1-2-15-6-7-17-14-9-11-10(8-12(14)15)4-3-5-13(11)16/h3-5,12,14,16H,2,6-9H2,1H3/t12-,14-/m1/s1
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n/an/an/an/a 0.800n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins


Bioorg Med Chem 22: 381-92 (2013)


Article DOI: 10.1016/j.bmc.2013.11.012
BindingDB Entry DOI: 10.7270/Q26T0P3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50444832
PNG
(CHEMBL3099224)
Show SMILES CN1CCO[C@@H]2Cc3c(O)cccc3C[C@@H]12 |r|
Show InChI InChI=1S/C13H17NO2/c1-14-5-6-16-13-8-10-9(7-11(13)14)3-2-4-12(10)15/h2-4,11,13,15H,5-8H2,1H3/t11-,13-/m1/s1
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n/an/an/an/a 4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins


Bioorg Med Chem 22: 381-92 (2013)


Article DOI: 10.1016/j.bmc.2013.11.012
BindingDB Entry DOI: 10.7270/Q26T0P3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50444834
PNG
(CHEMBL3099223)
Show SMILES CN1CCC[C@@H]2Cc3c(O)cccc3C[C@@H]12 |r|
Show InChI InChI=1S/C14H19NO/c1-15-7-3-5-11-8-12-10(9-13(11)15)4-2-6-14(12)16/h2,4,6,11,13,16H,3,5,7-9H2,1H3/t11-,13-/m1/s1
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n/an/an/an/a 25n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins


Bioorg Med Chem 22: 381-92 (2013)


Article DOI: 10.1016/j.bmc.2013.11.012
BindingDB Entry DOI: 10.7270/Q26T0P3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50444820
PNG
(CHEMBL3099236)
Show SMILES CCCN1C[C@H](Cn2cc(Cl)cn2)O[C@@H]2Cc3c(O)cccc3C[C@@H]12 |r|
Show InChI InChI=1S/C19H24ClN3O2/c1-2-6-22-11-15(12-23-10-14(20)9-21-23)25-19-8-16-13(7-17(19)22)4-3-5-18(16)24/h3-5,9-10,15,17,19,24H,2,6-8,11-12H2,1H3/t15-,17-,19-/m1/s1
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n/an/an/an/a 2.10n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins


Bioorg Med Chem 22: 381-92 (2013)


Article DOI: 10.1016/j.bmc.2013.11.012
BindingDB Entry DOI: 10.7270/Q26T0P3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50444829
PNG
(CHEMBL3099227)
Show SMILES Oc1cccc2C[C@@H]3[C@@H](Cc12)OCCN3CC=C |r|
Show InChI InChI=1S/C15H19NO2/c1-2-6-16-7-8-18-15-10-12-11(9-13(15)16)4-3-5-14(12)17/h2-5,13,15,17H,1,6-10H2/t13-,15-/m1/s1
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n/an/an/an/a 1.10n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins


Bioorg Med Chem 22: 381-92 (2013)


Article DOI: 10.1016/j.bmc.2013.11.012
BindingDB Entry DOI: 10.7270/Q26T0P3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50444826
PNG
(CHEMBL3099230)
Show SMILES CCCN1C[C@H](Cn2cccn2)O[C@@H]2Cc3c(O)cccc3C[C@@H]12 |r|
Show InChI InChI=1S/C19H25N3O2/c1-2-8-21-12-15(13-22-9-4-7-20-22)24-19-11-16-14(10-17(19)21)5-3-6-18(16)23/h3-7,9,15,17,19,23H,2,8,10-13H2,1H3/t15-,17-,19-/m1/s1
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n/an/an/an/a 1.5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins


Bioorg Med Chem 22: 381-92 (2013)


Article DOI: 10.1016/j.bmc.2013.11.012
BindingDB Entry DOI: 10.7270/Q26T0P3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50444830
PNG
(CHEMBL3099226)
Show SMILES CCCN1CCO[C@@H]2Cc3c(O)cccc3C[C@@H]12 |r|
Show InChI InChI=1S/C15H21NO2/c1-2-6-16-7-8-18-15-10-12-11(9-13(15)16)4-3-5-14(12)17/h3-5,13,15,17H,2,6-10H2,1H3/t13-,15-/m1/s1
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n/an/an/an/a 0.140n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins


Bioorg Med Chem 22: 381-92 (2013)


Article DOI: 10.1016/j.bmc.2013.11.012
BindingDB Entry DOI: 10.7270/Q26T0P3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50444825
PNG
(CHEMBL3099231)
Show SMILES CCCN1C[C@@H](Cn2cccn2)O[C@@H]2Cc3c(O)cccc3C[C@@H]12 |r|
Show InChI InChI=1S/C19H25N3O2/c1-2-8-21-12-15(13-22-9-4-7-20-22)24-19-11-16-14(10-17(19)21)5-3-6-18(16)23/h3-7,9,15,17,19,23H,2,8,10-13H2,1H3/t15-,17+,19+/m0/s1
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n/an/an/an/a 1n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins


Bioorg Med Chem 22: 381-92 (2013)


Article DOI: 10.1016/j.bmc.2013.11.012
BindingDB Entry DOI: 10.7270/Q26T0P3C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%